SCHEMBL5520742

SCHEMBL5520742

N#CCNC(=O)C(CC1CCCCC1)C(=O)Nc1cccc2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
CTSL P07711 3/20 0.48
CTSS P25774 3/20 0.48
CTSB P07858 2/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 4/20 0.45
MEN1 O00255 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
TRPV1 Q8NER1 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5528425 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMEN1THRATHRB
SCHEMBL5526343 0.80 CTSK (0.60) CTSKCTSLCTSSCTSBLMNA
SCHEMBL5526359 0.78 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL5520634 0.75 CTSK (0.60) CTSKCTSLCTSSCTSBHPGD
SCHEMBL5526426 0.74 CTSK (0.53) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL5530376 0.74 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL5520618 0.73 FPR2 (0.53) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL5523345 0.73 NPY5R (0.60) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL5528697 0.73 CTSK (0.57) CTSKCTSLCTSSCTSBSMN1; SMN2
SCHEMBL5524199 0.73 CTSS (0.50) CTSKCTSLCTSSCTSBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSL 11/4885CTSS 1/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSK 14/4885CTSL 19/4885CTSS 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.